• 제목/요약/키워드: molecular distribution

검색결과 1,401건 처리시간 0.023초

Effect of High-Molecular Weight Organic Compounds on Improvement of Pore Structure of Cement Materials

  • Lee, Woong-Geol;Jeon, Se-Hoon;Song, Myong-Shin;Kim, Jusung
    • 한국세라믹학회지
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    • 제56권6호
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    • pp.534-540
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    • 2019
  • Carbon dioxide emissions involved in global warming are one of the most important issues in the world, and carbon dioxide emissions from the cement industry are about 7% of total carbon dioxide emissions. Thus, reduction in the amount of utilized cement can contribute to a reduction of carbon dioxide emissions. The average life of concrete is 20 ~ 30 years, and if concrete life can be improved by ten years, cement use will be much lower. In this study, we examined the use and effect of fructan from microbes as a method for the densification of the pore structure of cement. The effect of fructan on the hydration reaction and pore distribution, as well as the water absorption of hardened cement mortar were studied. Pores distribution increased in mesopore OPC, and absorption rate was found to decrease with the use of fructan, which has a glue-like and swelling character.

Dynamics of OH Production in the Reaction of O(1D2) with Cyclopropane

  • Jang, Sungwoo;Jin, Sung Il;Kim, Hong Lae;Kim, Hyung Min;Park, Chan Ryang
    • Bulletin of the Korean Chemical Society
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    • 제35권6호
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    • pp.1706-1712
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    • 2014
  • The OH($X^2{\Pi}$, ${\upsilon}^{\prime\prime}=0,1$) internal state distribution following the reaction of electronically excited oxygen atom ($O(^1D_2)$) with cyclo-$C_3H_6$ has been measured using laser-induced fluorescence, and compared with that following the reaction of $O(^1D_2)$ with $C_3H_8$. The overall characteristics of the OH internal energy distributions for both reactions were qualitatively similar. The population propensity of the ${\Pi}(A^{\prime})$ ${\Lambda}$-doublet sub-level suggested that both reactions proceeded via an insertion/elimination mechanism. Bimodal rotational population distributions supported the existence of two parallel mechanisms for OH production, i.e., statistical insertion and nonstatistical insertion. However, detailed analysis revealed that, despite the higher exoergicity of the reaction, the rotational distribution of the OH following the reaction of $O(^1D_2)$ with $C_3H_8$ was significantly cooler than that with cyclo-$C_3H_6$, especially in the vibrational ground state. This observation was interpreted as the effect of the flexibility of the insertion complex and faster intramolecular vibrational relaxation (IVR).

Determining a Detectable Threshold of Signal Intensity in cDNA Microarray Based on Accumulated Distribution

  • Gao, Xia;Fu, Xuping;Li, Tao;Zi, Jian;Luo, Yao;Wei, Qing;Zeng, Erliang;Xie, Yi;Li, Yao;Mao, Yumin
    • BMB Reports
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    • 제36권6호
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    • pp.558-564
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    • 2003
  • In microarray data mining, one of the key problems is how to handle weak signals. Based on a bent piecewise linear accumulated distribution generally found in the microarray data, a new detectable threshold finding method is proposed to filter genes with unreliable information in this paper. More reliable and reproducible data is produced for the subsequent data mining.

Chemical Differentiation of CS and $N_2H^+$ in Starless Cores

  • Kim, Shinyoung;Lee, Chang Won;Sohn, Jungjoo;Kim, Gwanjeong;Kim, Mi-Ryang
    • 천문학회보
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    • 제39권1호
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    • pp.62.1-62.1
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    • 2014
  • We present preliminary results on the chemical differentiation of two dense gas tracers CS and $N_2H^+$ in five 'evolved' starless cores, L1544, L1552, L1689B, L694-2 and L1197, using our mapping observations in $C^{34}S$(J=2-1) and $N_2H^+$(J=1-0) with Nobeyama 45-m telescope. We compared the intensity maps of two molecular lines with 850 ${\mu}m$ continuum data which precisely trace the density distribution of the dense cores, finding that all of our targets show the central depletion holes in CS distribution, but the similar distribution in $N_2H^+$ to the one in dust continuum. Our data confirm the claim that CS molecule generally deplete out in the central region in starless cores, while $N_2H^+$ keep abundant as they get evolved. The detailed quantitative analysis on CS depletion in the dense cores, for example, the size of CS depletion area and radial (or gas density) dependence of CS depletion, is underway and will be presented in the meeting.

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Free Energy Estimation in Dissipative Particle Dynamics

  • Bang, Subin;Noh, Chanwoo;Jung, YounJoon
    • EDISON SW 활용 경진대회 논문집
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    • 제5회(2016년)
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    • pp.37-54
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    • 2016
  • The methods for estimating the change of free energy in dissipative particle dynamics (DPD) are discussed on the basis of fluctuation theorems. Fluctuation theorems are tactics to evaluate free energy changes from non-equilibrium work distributions and have several forms, as proposed by Jarzynski, Crooks, and Bennett. The validity of these methods however, has been shown merely with the molecular dynamics or Langevin dynamics. In this study, the appropriate forms of fluctuation theorems for dissipative particle dynamics, which has similar structure to that of Langevin dynamics, are suggested using Liouville's theorem, and they are proved equivalent to original fluctuation theorems. Work distribution functions, which are probability distribution functions of works exerted on the system within the systematic change, are the basics of fluctuation theorems and their shapes are turned out to be dependent on the phase space trajectory of the change of the system. The reliability of Jarzynski and Crooks methods is highly dependent on the number of simulations to measure works and the shapes of the work distribution functions. Bennett method, however, can evaluate free energy changes even when Jarzynski and Crooks methods fail to do so.

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The Influence of Mixed Solvents Volatility on Charge State Distribution of Peptides During Positive Electrospray Ionization Mass Spectrometry

  • Nielsen, Birthe V.;Abaye, Daniel A.;Nguyen, Minh T.L.
    • Mass Spectrometry Letters
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    • 제8권2호
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    • pp.29-33
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    • 2017
  • Understanding the mechanisms that control and concentrate the observed electrospray ionisation (ESI) response from peptides is important. Controlling these mechanisms can improve signal-to-noise ratio in the mass spectrum, and enhances the generation of intact ions, and thus, improves the detection of peptides when analysing mixtures. The effects of different mixtures of aqueous: organic solvents (25, 50, 75%; v/v): formic acid solution (at pH 3.26) compositions on the ESI response and charge-state distribution (CSD) during mass spectrometry (MS) were determined in a group of biologically active peptides (molecular wt range 1.3 - 3.3 kDa). The ESI response is dependent on type of organic solvent in the mobile phase mixture and therefore, solvent choice affects optimal ion intensities. As expected, intact peptide ions gave a more intense ESI signal in polar protic solvent mixtures than in the low polarity solvent. However, for four out of the five analysed peptides, neither the ESI response nor the CSD were affected by the volatility of the solvent mixture. Therefore, in solvent mixtures, as the composition changes during the evaporation processes, the $pK_b$ of the amino acid composition is a better predictor of multiple charging of the peptides.

Speckle Removal of SAR Imagery Using a Point-Jacobian Iteration MAP Estimation

  • Lee, Sang-Hoon
    • 대한원격탐사학회지
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    • 제23권1호
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    • pp.33-42
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    • 2007
  • In this paper, an iterative MAP approach using a Bayesian model based on the lognormal distribution for image intensity and a GRF for image texture is proposed for despeckling the SAR images that are corrupted by multiplicative speckle noise. When the image intensity is logarithmically transformed, the speckle noise is approximately Gaussian additive noise, and it tends to a normal probability much faster than the intensity distribution. MRFs have been used to model spatially correlated and signal-dependent phenomena for SAR speckled images. The MRF is incorporated into digital image analysis by viewing pixel types as slates of molecules in a lattice-like physical system defined on a GRF Because of the MRF-SRF equivalence, the assignment of an energy function to the physical system determines its Gibbs measure, which is used to model molecular interactions. The proposed Point-Jacobian Iterative MAP estimation method was first evaluated using simulation data generated by the Monte Carlo method. The methodology was then applied to data acquired by the ESA's ERS satellite on Nonsan area of Korean Peninsula. In the extensive experiments of this study, The proposed method demonstrated the capability to relax speckle noise and estimate noise-free intensity.

MaxEnt 모형을 활용한 부산광역시 내 오동나무 및 참오동나무의 분포 경향과 생태적 특성 (Distribution Patterns and Ecological Characters of Paulownia coreana and P. tomentosa in Busan Metropolitan City Using MaxEnt Model)

  • 이창우;이철호;최병기
    • 한국전통조경학회지
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    • 제35권2호
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    • pp.87-97
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    • 2017
  • 오동나무는 한국 전통 문화에서 오래전부터 인식되어 왔으며, 다양한 분야에서 종의 가치에 대해 연구되어 왔다. 그러나 종의 분포와 생태적 특성에 대한 연구는 미흡한 상황이다. 본 연구는 MaxEnt 모형을 활용하여 부산광역시 내 오동나무 두 종의 분포 경향 및 생태적 특성을 밝히는데 목적을 두고 있다. MaxEnt 모형은 현장 조사로 수집된 오동나무 종의 위치 정보와 지형, 기후, 잠재인간간섭도와 같은 환경 인자로 구축되었다. 연구결과 AUC 값은 오동나무와 참오동나무가 각각 0.809으로 모형의 정확도가 적절한 것으로 확인되었다. 분포모형에 따른 연구지역 내 오동나무와 참오동나무의 분포 경향은 두 종 모두 시가지, 나지가 밀집해 있는 도심위주의 분포를 나타냈다. 두 종의 잠재분포가능면적은 오동나무 $137.4km^2$, 참오동나무 $135.0km^2$로 확인되었으며, 중구, 동래구, 부산진구, 연제구 등에서 높은 확률로 분포하였다. 환경요인의 기여도 분석 결과, 오동나무와 참오동나무의 분포에 잠재인간간섭도가 약 50% 내외의 기여를 하는 것으로 확인되었고, 잠재인간간섭도와 양의 상관관계를 나타냈다. 해발고도는 두 종 모두에서 음의 상관관계를 보였으며, 해발고도가 증가할수록 자연서식처에서 자생종과의 경쟁이 증가하기 때문인 것으로 판단된다. 본 연구의 결과들은 오동나무와 참오동나무의 분포가 인위적 활동에 의존되어 있음을 수리적으로 나타내는 결과이며, 한국 전통경관과의 관련성을 암시하는 결과이다. 이러한 결과는 추후 오동나무의 활용 및 보존, 복원에 있어서 의미 있는 정보를 제공할 수 있을 것으로 판단된다.

Two Distinct Isozymes of Repair Protein Carboxyl O-Methyltransferase from Porcine Brain

  • Park, In-Ho;Son, Min-Sik;Son, Young-Jin;Moon, Hyung-In;Han, Jeung-Whan;Lee, Hyang-Woo;Hong, Sung-Youl
    • BMB Reports
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    • 제32권3호
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    • pp.299-305
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    • 1999
  • Protein carboxyl O-methyltransferase (PCMT) catalyzes the transfer of a methyl group from Sadenosyl-L-methionine to free carboxyl groups of methyl-accepting substrate proteins. Two isozymes were separated by DEAE-Sephacel chromatography from porcine brain cytosol and designated PCMT I and II. Isozymes I and II were further purified by adenosyl homocysteine-Sepharose 4B and Superose HR 12 chromatography. The molecular weights of the purified PCMT I and II were determined by mass spectrometry to be 20,138 Da and 25,574 Da, respectively. The two enzymes displayed different isoelectric points; 7.9 for PCMT I and 5.3 for PCMT II. Isozymes I and II exhibited similar substrate specificities when tested with various methyl-accepting proteins. Myelin basic protein, a component of myelinated neurons, was found to be an excellent methyl-accepting substrate for both PCMT isozymes with different $K_m$ values, $21.1\;{\mu}M$ for PCMT I and $10.6\;{\mu}M$ for PCMT II. The PCMT activity and methyl-accepting capacity displayed similar distribution in the various brain regions with an exception of the lower values in the cerebellum. The overall distribution may relate to a general function of protein repair by PCMT in the brain.

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대기 중 다환방향족 탄화수소의 측정을 위한 시료포집방법의 비교평가 (Evaluation of Sampling Methodology for the Measurement of Polycyclic Aromatic Hydrocarbons in the Atmosphere)

  • 백성옥;최진수
    • 한국대기환경학회지
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    • 제14권1호
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    • pp.43-62
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    • 1998
  • This study was carried out to investigate the influence of different sampling methods on the measured concentrations of polycyclic aromatic hydrocarbons (PAH) both in the vapor and particulate phases, and to evaluate the effects of ambient temperature and sampling duration on the losses of PAH associated with particle samples due to volatilization. The experimental protocol of this study is consisted of two parts. The first part is related to the comparison of PAH concentrations measured by 4 different sampling systems, each of which involves different sampling principles for comparison purposes, including a medium-volume sampler with XAD-2 adsorbent, a high-volume sampler with polyurethane foam (PUF), two identical low-volume samplers: one with XAD-2 and the other with PUF, respectively. The second part of this study is to quantitatively estimate the losses of particulate PAH samples by volatilization during sampling, using two identical low-volume samplers: one was used for changing the filters every 3 hrs, 6 hrs, 12 hrs, and 24 hrs sampling, while the other was maintained for continuous 48 hours sampling without changing the filter. The concentrations of volatile PAH including 2-3 rings appeared to be significantly affected by the type of adsorbent. Measured levels of these lower-molecular weight PAH by XAD-2 adsorbent were much higher than those by PUF for both high-volume and low-volume sampling. PUF was found to give rise to unknown components that interfered with the PAH analysis, even after extensive clean-up. In addition, the retention efficiency of PUF for lower molecular weight PAH was subject to a large variation, being significantly influenced by sampling conditions such as ambient temperature. However, the effect of sampling methods with different adsorbents on the measured levels of semi-volatile compounds including 4 rings PAH such as fluoranthene, pyrene, BaA and chrysene, was not so much significant as more volatile PAH compounds. It was also clear from this study that volatilization losses of the semi-volatile PAH collected on the filters were inevitably occurred during prolonged sampling, and hence the results obtained from conventional sampling methods may not be expected to yield an accurate distribution of PAH between the vapor and particulate phases.

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